Pdxl software

Manufactured by Rigaku

Sourced in Japan, Germany

PDXL software is a comprehensive powder diffraction analysis tool developed by Rigaku. It provides a suite of advanced features for the identification and quantification of crystalline phases in a sample. The software supports a wide range of data formats and offers advanced data processing, analysis, and reporting capabilities. PDXL software is designed to facilitate efficient and reliable phase analysis in various applications, including materials science, mineralogy, and pharmaceuticals.

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Lab products found in correlation

S 4800 field emission scanning electron microscopy, by Hitachi (2 mentions) Ultima 4 x ray diffractometer, by Rigaku (2 mentions) Smartlab 9 kw, by Rigaku (2 mentions) Smartlab x ray diffractometer, by Rigaku (1 mentions) Tga sdta 851e, by Mettler Toledo (1 mentions) Vertex 70v vacuum spectrometer, by Bruker (1 mentions) Nova 1200e, by Anton Paar (1 mentions) Smartlab diffractometer, by Rigaku (1 mentions) Jem 2000ex, by JEOL (1 mentions) Ultima 4, by Rigaku (1 mentions) Jem 2010f, by JEOL (1 mentions) Optima 4300dv instrument, by PerkinElmer (1 mentions) Asap 2020, by Micromeritics (1 mentions) Miniflex 2, by Rigaku (1 mentions) Smartlab, by Rigaku (1 mentions) D max 2500, by Rigaku (1 mentions)

Spelling variants of this product

PDXL-2 analysis software (4 citations) PDXL software program (2 citations) PDXL XRD analysis software (2 citations) PDXL software package (2 citations)

12 protocols using pdxl software

X-ray Diffraction Analysis of Nanocrystals

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XRD measurements
were performed
on a Rigaku SmartLab X-ray diffractometer operating at 40 kV and 150
mA. The diffractometer was equipped with a Cu source and a Göbel
mirror to have a parallel beam, and it was used in 2θ/ω
scan geometry for the acquisition of the data. The specimens were
prepared in a N₂-filled glovebox by drop-casting the concentrated
NC solution onto a zero-background silicon substrate followed by drying.
PDXL software of Rigaku was used for phase identification.

Xie Y., Chen W., Bertoni G., Kriegel I., Xiong M., Li N., Prato M., Riedinger A., Sathya A, & Manna L. (2017). Tuning and Locking the Localized Surface Plasmon Resonances of CuS (Covellite) Nanocrystals by an Amorphous CuPdxS Shell. Chemistry of Materials, 29(4), 1716-1723.

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Structural and Thermal Analysis of Materials

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Fourier Transform Infrared spectra (FTIR) were performed in solid phase using a JASCO FT/IR-4200 spectrophotometer equipped with an ATR PRO450-S accessory with diamond optics, working in the attenuated total reflection (ATR) technique in the spectral range of 400–4000 cm⁻¹, at a resolution of 4 cm⁻¹.
X-ray diffraction (XRD) experiments were performed on powders, using a Rigaku Ultima IV diffractometer in parallel beam geometry equipped with CuKα radiation (wavelength 1.5406 Å). The XRD patterns were collected in the 2θ range between 10 and 70 with a speed of 2°/ min and a step size of 0.02°. PDXL software from Rigaku, connected to the ICDD database was used for phase identification and XRD patterns refinement using the Whole Pattern Powder Fitting (WPPF) method (Rigaku’s PDXL software).
Thermal measurements were performed on a Mettler Toledo TGA/SDTA 851e thermal analyzer apparatus, in an airflow atmosphere with a flow rate of 80 mL min⁻¹ and at a heating rate of 10 K min⁻¹. The TG curves were recorded from room temperature to 1000 °C. The samples were held in alumina crucibles.

Mititelu M., Moroșan E., Nicoară A.C., Secăreanu A.A., Musuc A.M., Atkinson I., Pandele Cusu J., Nițulescu G.M., Ozon E.A., Sarbu I, & Balaci T.D. (2022). Development of Immediate Release Tablets Containing Calcium Lactate Synthetized from Black Sea Mussel Shells. Marine Drugs, 20(1), 45.

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Characterization of Li-Rich Cathode Powders

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The crystalline phase of each Li rich cathode powder was characterized by Rigaku Ultima IV X-ray diffractometer using CuKα radiation. The scan range was set between 10–80 2θ degrees for each measurement. The crystal structures of all as-synthesized powders were processed with the aid of PDXL software, provided by Rigaku Corporation. Unit cell visualization was drawn with VESTA software. The surface feature of each powder was investigated with a Hitachi S-4800 Field Emission Scanning Electron Microscopy (FESEM). To unravel local geometry and valence states of each transition metal in the composite metal oxide cathode, we ran X-ray absorption spectra at beam line X-3A and X18-A of the National Synchrotron Light Source (NSLS-I) located at Brookhaven National Laboratory. XAS experiments were performed in ex-situ mode using electrodes extracted from coin-cells. The electrodes were sealed with Kapton tape and stored in glass vials followed by packing in moisture impermeable aluminized bags in Ar filled glove box before transporting to NSLS-I. Each raw scan was calibrated, normalized and aligned with respect to reference foils through Artemis software.^{26 (link)}

Ates M.N., Mukerjee S, & Abraham K.M. (2015). A Search for the Optimum Lithium Rich Layered Metal Oxide Cathode Material for Li-Ion Batteries. Journal of the Electrochemical Society, 162(7), A1236-A1245.

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Characterization of Li-Rich Cathode Powders

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XRD Characterization of Nanoparticle Films

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XRD patterns were recorded on a Rigaku SmartLab 9 kW diffractometer. The X-ray source was operated at 40 kV and 150 mA. The diffractometer was equipped with a Cu source and a Göbel mirror to obtain a parallel beam and to suppress Cu Kβ radiation (1.392 Å). To acquire data, a 2-theta/omega scan geometry was used. The samples were prepared by drop casting concentrated NPL solutions onto a zero background silicon substrate. The PDXL software of Rigaku was used for phase identification.

Lesnyak V., George C., Genovese A., Prato M., Casu A., Ayyappan S., Scarpellini A, & Manna L. (2014). Alloyed Copper Chalcogenide Nanoplatelets via Partial Cation Exchange Reactions. ACS Nano, 8(8), 8407-8418.

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Comprehensive Material Characterization Protocol

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The sample phase composition was determined with a SmartLab diffractometer (Rigaku, Tokyo, Japan) using Cu-Kα radiation and a graphite monochromator. X-ray diffraction (XRD) patterns were recorded in symmetrical mode and analyzed using the PDXL software, (Version 2.8.4.0) (Rigaku, Tokyo, Japan). Fourier-transform infrared (FTIR) spectra were recorded based on powder samples using a Vertex 70v vacuum spectrometer (Bruker, Billerica, MA, USA) in the range of 400–4000 cm⁻¹ with a partial internal reflection device. The chemical composition was analyzed with an X-ray photoelectron spectroscopy (XPS, 18725 Lake Drive East, Chanhassen, MN, USA) using a Versa Probe III (PHI) instrument equipped with a monochromatic Al Kα X-ray source (hν = 1486.6 eV). Atomic concentrations were determined from survey spectra using the relative sensitivity factors of the elements. The integral intensities of the XPS B1s, N1s, O1s, and C1s peaks were used for analysis. The specific surface area was determined with the Brunauer–Emmett–Teller (BET) nitrogen adsorption method using a NOVA 1200e instrument (Quantachrome Instruments, Boynton Beach, FL, USA).

Matveev A.T., Varlamova L.A., Konopatsky A.S., Leybo D.V., Volkov I.N., Sorokin P.B., Fang X, & Shtansky D.V. (2022). A New Insight into the Mechanisms Underlying the Discoloration, Sorption, and Photodegradation of Methylene Blue Solutions with and without BNOx Nanocatalysts. Materials, 15(22), 8169.

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Structural and Magnetic Characterization

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XRPD patterns were measured by a Rigaku Ultima IV using Cu Kα (λ = 1.5418 Å). Rietveld analyses for the XRPD patterns were performed using Rigaku PDXL software. TEM images were acquired using a JEOL JEM 2000EX. TEM energy-dispersive X-ray spectroscopy (TEM-EDX) was performed using a JEOL JEM 2010F. Raman spectra were measured by NRS-5500 Laser Raman Spectrometer (JASCO Corporation, Japan). Magnetic measurements were performed using a Quantum Design MPMS superconducting quantum interference device (SQUID) magnetometer.

Tokoro H., Fukui J., Watanabe K., Yoshikiyo M., Namai A, & Ohkoshi S.I. (2020). Crystal growth control of rod-shaped ε-Fe2O3 nanocrystals. RSC Advances, 10(65), 39611-39616.

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Competitive Etching of Cu2-xS and Cu2-xSe NCs

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XRD patterns were recorded
on a Rigaku SmartLab 9 kW diffractometer. The X-ray source was operated
at 40 kV and 150 mA. The diffractometer was equipped with a Cu rotating
anode source and a Göbel mirror to obtain a parallel beam and
to suppress Cu Kβ radiation (1.392 Å). To acquire data
a 2θ/Ω scan geometry was used. Competitive etching experiments
were performed using a 3:1 mixture of Cu_2–xS (9.0 μM) and Cu_2–xSe (1.3 μM) NCs solutions, which were drop cast onto a zero
background silicon substrate. After a first XRD acquisition on the
pristine sample, the so-obtained film was immersed for 1 min in a
0.02 M solution of CuCl₂ in methanol and thoroughly rinsed
with ethanol prior to XRD characterization of the etched NCs. The
PDXL software of Rigaku was used for phase identification.

Miszta K., Brescia R., Prato M., Bertoni G., Marras S., Xie Y., Ghosh S., Kim M.R, & Manna L. (2014). Hollow and Concave Nanoparticles via Preferential Oxidation of the Core in Colloidal Core/Shell Nanocrystals. Journal of the American Chemical Society, 136(25), 9061-9069.

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Characterizing Thin-Film Structures via XRD

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XRD measurements of the sample films were performed on a Rigaku (Tokyo, Japan) SuperLab^{39 (link)} X-ray diffractometer equipped with a parabolic multilayer X-ray mirror and a scintillation detector. The characteristic X-rays were Cu Kα rays (0.15418 nm) generated by a rotating anode X-ray generator, where the tube voltage and current were set to 40 kV and 30 mA, respectively. For the specular XRD measurement, the detector and sample stage were scanned symmetrically and simultaneously, so that the scattering angle was always twice the incident angle. For the GIXD in-plane measurement, the incident angle was fixed at 0.20°, and only the detector was scanned in the film plane. The obtained diffraction patterns were smoothed by the Savitzky-Golay method involved in the Rigaku PDXL software. The number of points for smoothing was set to 11.

Shioya N., Fujii M., Shimoaka T., Eda K, & Hasegawa T. (2022). Stereoisomer-dependent conversion of dinaphthothienothiophene precursor films. Scientific Reports, 12, 4448.

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Characterization of Calcined Catalysts

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The characterization of the selected calcined catalysts was achieved by Brunauer-Emmet-Teller (BET), X-ray diffraction (XRD), and inductively coupled plasma optical emission spectrometry (ICP-OES). Measurements of BET surface area and adsorption-desorption isotherms at 77 K were performed on a Micromeritics ASAP 2020 instrument. The samples were out-gassed under vacuum at 473 K for 2 h before adsorption analysis. The XRD spectra were collected on a Rigaku MiniFlex II diffractometer operating at 30 kV and 15 mA with Cu Kα radiation source (λ = 0.154 nm). The XRD patterns were collected at 2θ angles (10–80°) with a scanning rate of 2°/min at ambient conditions. The diffraction patterns were analyzed using PDXL software (Rigaku Inc.) and the Crystallography Open Database [32 (link)]. The metal content of selected samples was determined by ICP-OES on a Perkin Elmer Optima 4300DV instrument.

ÖZCAN O, & AKIN A.N. (2022). Comparison of a commercial water-gas shift catalyst and La modified Cu-based catalysts prepared by deposition-precipitation in methanol steam reforming. Turkish Journal of Chemistry, 46(4), 1069-1080.

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